Adamantane
PubChem CID: 9238
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| Compound Synonyms | ADAMANTANE, 281-23-2, Tricyclo[3.3.1.13,7]decane, Adamantan, Tricyclo[3.3.1.1(3,7)]decane, tricyclo[3.3.1.1]decane, tricyclo[3.3.1.1~3,7~]decane, Adamantine, EINECS 206-001-4, NSC 527913, CHEBI:40519, Tricyclo(3.3.1.13,7)decane, PJY633525U, ADAMANTANE [MI], MFCD00074719, NSC-527913, DTXSID5022017, EC 206-001-4, A 0696, NSC 527913, Tricyclo(3.3.1.1)decane, tricyclo(3.3.1.1(3,7))decane, tricyclo(3.3.1.1~3,7~)decane, Tricyclo(3.3.1.13,7)dec-2-yl, Tricyclo[3.3.1.13,7]dec-2-yl, Adamantane, Tricyclo[3.3.1.1(3),7]decane, UNII-PJY633525U, Adamantane (8CI), Adamantane, >99%, Adamantane, >=99%, DTXCID302017, CHEMBL1230831, Tricyclo(3,3,1,1,)-decane, DTXSID00173425, DTXSID10175854, HY-N2427, Adamantane (purified by sublimation), NSC527913, Tricyclo[3.3.1.1<3,7>]decane, Adamantane Tricyclo[3.3.1.1]decane, AKOS000119960, AKOS004908007, AKOS016354066, DB03627, DS-4960, FA01417, Tricyclo(3,3,1,1,<3,7>)-decane, Tricyclo(3.3.1.1(sup 3,7))decane, AS-12242, DB-004015, A0696, A3233, CS-0022641, NS00006508, S2869, EN300-19684, D88553, Q351461, F0001-0891, Z104474730 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1C2CC3CC1CC(C2)C3 |
| Deep Smiles | CCCCCC6CCC8)C6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1C2CC3CC1CC(C2)C3 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 75.1 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | adamantane |
| Class | Polycyclic hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.8 |
| Superclass | Hydrocarbons |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C1C2CC3CC1CC(C2)C3 |
| Inchi Key | ORILYTVJVMAKLC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | Adamantan, Tricyclo[3.3.1.1(3,7)]decane, Diamantane, adamantane, adamantane (c10h16) |
| Esol Class | Soluble |
| Compound Name | Adamantane |
| Kingdom | Organic compounds |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2 |
| Smiles | C1C2CC3CC1CC(C2)C3 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Polycyclic hydrocarbons |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643630 - 2. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.960268 - 3. Outgoing r'ship
FOUND_INto/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958564 - 4. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831562 - 5. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840